#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wht h VAL 3 N 0.00 1.31 -3.71 0.44 2.07 -1.98 -3.42 116.25 110.95 2wht h VAL 3 Ca 0.00 -2.14 -0.69 0.00 0.82 0.00 0.00 66.70 64.69 2wht h VAL 3 Cb 0.00 2.17 -0.31 0.00 -1.52 0.00 0.00 31.29 31.63 2wht h VAL 3 CO 0.00 0.66 -0.66 -0.63 0.02 0.00 0.00 177.57 176.96 2wht s ILE 4 N -3.54 3.34 0.83 4.57 1.01 -1.26 -4.90 121.20 121.25 2wht s ILE 4 Ca -0.09 -1.23 -0.11 0.00 0.00 0.00 0.00 60.65 59.22 2wht s ILE 4 Cb 0.08 -2.89 0.09 0.00 0.01 0.00 0.00 42.46 39.75 2wht s ILE 4 CO 0.90 -0.11 1.09 0.00 0.00 0.00 0.00 174.94 176.82 2wht s ALA 5 N 1.33 1.99 0.35 9.38 0.00 -1.26 -4.97 121.76 128.58 2wht s ALA 5 Ca -0.03 -0.04 0.18 0.00 0.00 0.00 0.00 51.96 52.07 2wht s ALA 5 Cb -0.19 -3.18 0.92 0.00 0.00 0.00 0.00 23.12 20.67 2wht s ALA 5 CO 0.00 -1.95 1.88 0.87 0.00 0.00 0.00 175.76 176.57 2wht h LYS 6 N -1.25 0.00 -5.20 0.00 1.57 -1.99 -3.40 116.57 106.30 2wht h LYS 6 Ca -0.47 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.66 2wht h LYS 6 Cb 1.26 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.24 2wht h LYS 6 CO 0.56 0.29 -0.87 -1.14 -0.57 0.00 0.00 179.45 177.72 2wht s GLN 7 N -4.11 2.83 0.08 3.15 2.00 -1.26 -3.90 119.66 118.46 2wht s GLN 7 Ca -0.02 -0.80 0.01 0.00 -2.00 0.00 0.00 55.36 52.55 2wht s GLN 7 Cb 0.13 -2.17 -0.04 0.00 0.80 0.00 0.00 33.01 31.73 2wht s GLN 7 CO 0.68 0.13 -0.06 -1.64 -0.50 0.00 0.00 175.29 173.90 2wht s MET 8 N 0.45 0.75 0.41 1.67 -1.94 -0.64 -5.01 119.30 114.98 2wht s MET 8 Ca -0.17 -1.23 0.07 0.00 -1.71 0.00 0.00 55.69 52.65 2wht s MET 8 Cb -0.17 -0.14 -0.06 0.00 2.01 0.00 0.00 34.83 36.46 2wht s MET 8 CO 0.07 -0.03 0.10 0.95 -0.01 0.00 0.00 175.02 176.10 2wht s THR 9 N -3.36 2.18 0.10 2.05 -4.23 -0.52 -1.49 115.64 110.38 2wht s THR 9 Ca 0.08 -1.84 -0.12 0.00 -1.18 0.00 0.00 61.69 58.63 2wht s THR 9 Cb 0.04 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.90 2wht s THR 9 CO -0.05 -0.01 0.27 -0.72 -0.54 0.00 0.00 174.62 173.58 2wht s TYR 10 N -2.65 0.01 -0.09 3.99 -0.85 -0.13 -0.85 117.35 116.79 2wht s TYR 10 Ca 0.38 -0.39 0.04 0.00 -0.52 0.00 0.00 57.07 56.58 2wht s TYR 10 Cb 0.06 0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.47 2wht s TYR 10 CO 0.20 -0.61 -0.22 0.21 -1.52 0.00 0.00 175.55 173.62 2wht s LYS 11 N -3.83 2.76 -0.09 -3.49 2.47 0.18 -0.12 119.74 117.61 2wht s LYS 11 Ca 0.04 -0.79 0.04 0.00 -1.56 0.00 0.00 55.97 53.70 2wht s LYS 11 Cb 0.04 -2.12 0.00 0.00 -1.46 0.00 0.00 37.83 34.29 2wht s LYS 11 CO -0.11 0.16 -0.23 0.54 0.16 0.00 0.00 175.35 175.87 2wht s VAL 12 N 0.37 1.96 -0.23 4.02 0.11 -0.50 -0.77 120.40 125.36 2wht s VAL 12 Ca -0.17 -0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 57.88 2wht s VAL 12 Cb -0.17 -1.69 0.00 0.00 -1.53 0.00 0.00 36.38 32.99 2wht s VAL 12 CO 0.08 0.54 -0.05 -0.31 -3.33 0.00 0.00 175.10 172.03 2wht s TYR 13 N 0.34 2.99 -0.09 1.54 1.51 0.91 -1.62 117.35 122.93 2wht s TYR 13 Ca -0.17 -1.16 0.03 0.00 -1.01 0.00 0.00 57.07 54.75 2wht s TYR 13 Cb -0.17 -2.09 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 2wht s TYR 13 CO 0.08 -0.62 -0.18 1.41 -1.11 0.00 0.00 175.55 175.13 2wht s MET 14 N 1.42 2.89 0.09 -0.62 1.75 0.18 -0.17 119.30 124.84 2wht s MET 14 Ca 0.04 -0.77 0.03 0.00 -1.25 0.00 0.00 55.69 53.74 2wht s MET 14 Cb -0.15 -2.40 -0.03 0.00 2.84 0.00 0.00 34.83 35.09 2wht s MET 14 CO -0.04 0.36 -0.09 -1.54 -0.65 0.00 0.00 175.02 173.06 2wht s SER 15 N -0.07 1.30 -0.04 1.11 1.04 -0.44 -0.43 113.70 116.17 2wht s SER 15 Ca -0.04 -0.79 -0.30 0.00 0.48 0.00 0.00 55.95 55.30 2wht s SER 15 Cb -0.14 0.02 0.11 0.00 0.10 0.00 0.00 66.02 66.12 2wht s SER 15 CO 0.04 -0.28 1.33 -0.83 0.98 0.00 0.00 173.24 174.49 2wht s GLY 16 N -2.35 -0.29 -0.06 7.32 0.00 -0.80 -1.49 107.32 109.65 2wht s GLY 16 Ca 0.03 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.17 2wht s GLY 16 CO -0.01 3.27 -0.04 -1.59 0.00 0.00 0.00 173.10 174.73 2wht s THR 17 N -2.12 0.58 -0.17 0.90 2.01 -0.40 -1.79 115.64 114.65 2wht s THR 17 Ca 0.23 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.13 2wht s THR 17 Cb 0.03 -0.63 0.04 0.00 0.01 0.00 0.00 72.50 71.95 2wht s THR 17 CO -0.03 0.25 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.38 2wht s VAL 18 N 1.21 1.32 -1.43 3.82 1.01 -0.95 -0.32 120.40 125.07 2wht s VAL 18 Ca -0.06 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2wht s VAL 18 Cb -0.14 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.86 2wht s VAL 18 CO -0.02 0.20 0.65 0.59 0.00 0.00 0.00 175.10 176.53 2wht n ASN 19 N 4.81 -1.69 0.00 3.32 4.13 0.02 -1.77 115.26 124.08 2wht n ASN 19 Ca -0.13 -0.90 0.00 0.00 1.68 0.00 0.00 54.58 55.22 2wht n ASN 19 Cb 0.48 -3.52 0.00 0.00 -1.54 0.00 0.00 39.78 35.20 2wht n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wht n GLY 20 N -1.73 2.92 3.52 7.41 0.00 -1.26 -4.99 105.19 111.05 2wht n GLY 20 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2wht n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wht s HIS 21 N -3.03 3.08 0.31 1.61 5.04 -0.73 -5.03 115.29 116.54 2wht s HIS 21 Ca 0.00 -0.04 -0.27 0.00 -1.54 0.00 0.00 55.06 53.21 2wht s HIS 21 Cb 0.00 -3.30 -0.09 0.00 0.04 0.00 0.00 32.58 29.22 2wht s HIS 21 CO 0.00 -0.84 1.01 -0.47 -2.34 0.00 0.00 174.74 172.11 2wht s TYR 22 N 2.77 3.61 0.22 3.88 5.04 -1.26 -2.24 117.35 129.37 2wht s TYR 22 Ca 0.22 1.75 -0.18 0.00 -2.44 0.00 0.00 57.07 56.42 2wht s TYR 22 Cb -0.14 -3.09 0.03 0.00 0.35 0.00 0.00 41.96 39.10 2wht s TYR 22 CO 0.18 -0.17 0.57 -0.59 -1.34 0.00 0.00 175.55 174.20 2wht s PHE 23 N -1.41 -0.12 0.01 4.97 -0.12 -0.74 -4.42 117.98 116.16 2wht s PHE 23 Ca 0.49 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 57.12 2wht s PHE 23 Cb -0.25 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.59 2wht s PHE 23 CO 0.31 -1.00 -0.03 -1.21 -0.05 0.00 0.00 175.22 173.24 2wht s GLU 24 N -3.89 0.24 0.01 1.99 2.02 -0.40 -1.90 118.70 116.76 2wht s GLU 24 Ca 0.11 -0.37 0.04 0.00 0.02 0.00 0.00 54.97 54.76 2wht s GLU 24 Cb -0.02 -0.03 -0.01 0.00 0.10 0.00 0.00 34.13 34.17 2wht s GLU 24 CO 0.00 -0.01 -0.12 0.08 0.02 0.00 0.00 175.26 175.24 2wht s VAL 25 N -0.81 0.94 0.03 2.63 1.01 0.42 -1.12 120.40 123.50 2wht s VAL 25 Ca -0.08 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.29 2wht s VAL 25 Cb -0.06 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2wht s VAL 25 CO -0.00 0.14 -0.21 -1.61 0.00 0.00 0.00 175.10 173.41 2wht s GLU 26 N -0.62 1.50 0.03 2.72 2.02 -0.64 -0.65 118.70 123.07 2wht s GLU 26 Ca 0.03 -0.91 -0.04 0.00 0.02 0.00 0.00 54.97 54.07 2wht s GLU 26 Cb -0.06 -1.58 -0.02 0.00 0.10 0.00 0.00 34.13 32.57 2wht s GLU 26 CO 0.00 0.41 0.06 0.20 0.02 0.00 0.00 175.26 175.95 2wht s GLY 27 N -1.02 0.22 -0.20 -1.39 0.00 -0.64 -0.51 107.32 103.78 2wht s GLY 27 Ca 0.08 -0.63 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 2wht s GLY 27 CO 0.01 -0.75 -0.09 0.99 0.00 0.00 0.00 173.10 173.26 2wht s ASP 28 N -2.07 4.00 0.40 1.64 1.01 -0.53 -1.41 116.67 119.72 2wht s ASP 28 Ca -0.06 -0.43 0.07 0.00 0.71 0.00 0.00 52.55 52.84 2wht s ASP 28 Cb -0.02 -1.66 -0.05 0.00 1.01 0.00 0.00 42.92 42.20 2wht s ASP 28 CO -0.04 0.02 0.18 -0.83 0.21 0.00 0.00 175.17 174.70 2wht s GLY 29 N 1.23 2.28 0.10 0.21 0.00 0.82 -1.06 107.32 110.91 2wht s GLY 29 Ca 0.03 -2.07 -0.25 0.00 0.00 0.00 0.00 44.72 42.43 2wht s GLY 29 CO -0.04 -1.89 0.61 -1.59 0.00 0.00 0.00 173.10 170.19 2wht s LYS 30 N -3.90 1.21 0.00 2.90 -2.85 -0.23 -0.95 119.74 115.91 2wht s LYS 30 Ca 0.41 -0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 2wht s LYS 30 Cb 0.03 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.36 2wht s LYS 30 CO 0.23 -0.49 0.00 0.41 0.10 0.00 0.00 175.35 175.60 2wht n GLY 31 N -0.03 -1.35 3.09 0.59 0.00 -0.55 -0.68 105.19 106.26 2wht n GLY 31 Ca -0.18 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 2wht n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wht s LYS 32 N -0.90 2.09 0.45 1.61 1.02 -0.25 -1.62 119.74 122.14 2wht s LYS 32 Ca 0.00 -2.08 0.14 0.00 0.02 0.00 0.00 55.97 54.05 2wht s LYS 32 Cb 0.00 -3.56 1.07 0.00 -0.52 0.00 0.00 37.83 34.81 2wht s LYS 32 CO 0.00 -1.09 2.04 -1.35 -0.92 0.00 0.00 175.35 174.03 2wht h PRO 33 N 7.62 0.32 -0.00 -1.68 0.11 -1.80 -1.00 132.00 135.57 2wht h PRO 33 Ca -0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2wht h PRO 33 Cb 1.01 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2wht h PRO 33 CO 0.68 0.21 -0.18 0.66 -0.21 0.00 0.00 178.00 179.16 2wht n TYR 34 N -4.47 0.00 0.80 0.65 4.01 -1.26 -3.17 117.16 113.72 2wht n TYR 34 Ca 0.06 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.89 2wht n TYR 34 Cb 0.26 -0.39 0.06 0.00 -0.31 0.00 0.00 39.34 38.95 2wht n TYR 34 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wht n GLU 35 N -1.47 1.64 -2.65 -0.72 -0.58 -0.44 -4.74 120.64 111.68 2wht n GLU 35 Ca 0.07 -1.44 -0.21 0.00 -0.42 0.00 0.00 57.16 55.16 2wht n GLU 35 Cb 0.33 -1.36 0.01 0.00 -0.57 0.00 0.00 31.44 29.85 2wht n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wht n GLY 36 N 1.12 -0.47 3.39 0.62 0.00 -0.83 -4.66 105.19 104.36 2wht n GLY 36 Ca 0.10 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2wht n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wht s GLU 37 N -5.29 2.08 0.01 1.61 2.02 -1.17 -0.96 118.70 117.00 2wht s GLU 37 Ca 0.13 -0.95 -0.28 0.00 0.02 0.00 0.00 54.97 53.88 2wht s GLU 37 Cb -0.06 -2.12 0.08 0.00 0.10 0.00 0.00 34.13 32.14 2wht s GLU 37 CO 0.16 0.55 0.72 1.14 0.02 0.00 0.00 175.26 177.85 2wht s GLN 38 N -1.02 1.04 0.10 1.61 -2.07 -0.80 -1.09 119.66 117.43 2wht s GLN 38 Ca 0.12 -0.08 0.02 0.00 -1.82 0.00 0.00 55.36 53.60 2wht s GLN 38 Cb -0.10 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.26 2wht s GLN 38 CO 0.02 -0.39 -0.07 0.95 -1.32 0.00 0.00 175.29 174.47 2wht s THR 39 N -2.31 0.75 -0.13 3.63 -4.23 0.15 -1.14 115.64 112.36 2wht s THR 39 Ca -0.04 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.46 2wht s THR 39 Cb -0.01 -1.64 0.04 0.00 1.34 0.00 0.00 72.50 72.23 2wht s THR 39 CO -0.01 -0.83 0.35 0.54 -0.54 0.00 0.00 174.62 174.13 2wht s VAL 40 N -3.45 -0.00 -0.19 2.29 0.11 -0.36 -1.06 120.40 117.73 2wht s VAL 40 Ca 0.11 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.13 2wht s VAL 40 Cb 0.04 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2wht s VAL 40 CO -0.04 0.01 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.19 2wht s LYS 41 N 0.36 3.64 0.03 1.54 1.02 -0.22 -1.70 119.74 124.41 2wht s LYS 41 Ca -0.01 -0.51 0.06 0.00 0.02 0.00 0.00 55.97 55.52 2wht s LYS 41 Cb -0.03 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 2wht s LYS 41 CO -0.01 0.07 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.83 2wht s LEU 42 N 0.85 2.80 -0.06 3.17 2.01 0.10 -1.45 118.68 126.10 2wht s LEU 42 Ca 0.01 -0.34 0.04 0.00 0.01 0.00 0.00 54.13 53.84 2wht s LEU 42 Cb -0.14 -1.63 0.00 0.00 0.01 0.00 0.00 46.19 44.43 2wht s LEU 42 CO 0.02 0.26 -0.16 -0.89 1.01 0.00 0.00 176.35 176.58 2wht s THR 43 N -0.97 1.41 -0.40 5.49 2.01 0.33 -1.75 115.64 121.76 2wht s THR 43 Ca 0.16 -0.67 -0.28 0.00 0.31 0.00 0.00 61.69 61.20 2wht s THR 43 Cb -0.11 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 71.19 2wht s THR 43 CO 0.06 0.41 1.06 -0.69 -0.69 0.00 0.00 174.62 174.77 2wht s VAL 44 N 0.28 4.41 -0.10 3.82 1.01 -0.04 -1.62 120.40 128.17 2wht s VAL 44 Ca -0.09 1.36 0.22 0.00 0.00 0.00 0.00 61.98 63.46 2wht s VAL 44 Cb -0.14 -4.47 -0.24 0.00 0.00 0.00 0.00 36.38 31.53 2wht s VAL 44 CO 0.04 -0.72 0.61 0.35 0.00 0.00 0.00 175.10 175.38 2wht n THR 45 N 6.30 0.32 -3.77 3.92 -2.24 -0.28 -4.76 114.28 113.78 2wht n THR 45 Ca 0.11 -0.55 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 2wht n THR 45 Cb 0.48 -0.16 -0.12 0.00 -2.10 0.00 0.00 70.33 68.44 2wht n THR 45 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2wht s LYS 46 N -3.37 0.29 -0.14 -0.78 2.20 -1.12 -4.93 119.74 111.88 2wht s LYS 46 Ca -0.06 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 2wht s LYS 46 Cb 0.12 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 2wht s LYS 46 CO 0.87 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 176.20 2wht n GLY 47 N 3.27 0.51 3.89 5.54 0.00 -1.26 -1.27 105.19 115.87 2wht n GLY 47 Ca -0.16 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 2wht n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wht s GLY 48 N -2.53 1.58 0.61 -0.02 0.00 -1.26 -4.15 107.32 101.55 2wht s GLY 48 Ca 0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 44.72 44.17 2wht s GLY 48 CO 0.00 -0.14 1.19 2.56 0.00 0.00 0.00 173.10 176.71 2wht s PRO 49 N -4.97 2.89 0.23 2.90 0.04 -1.26 -5.10 135.00 129.72 2wht s PRO 49 Ca 0.51 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2wht s PRO 49 Cb -0.11 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2wht s PRO 49 CO 0.49 -1.25 1.00 -0.51 0.04 0.00 0.00 177.00 176.76 2wht s LEU 50 N -4.26 4.59 0.00 -3.56 1.43 -1.26 -4.95 118.68 110.67 2wht s LEU 50 Ca 0.75 2.02 0.14 0.00 -1.03 0.00 0.00 54.13 56.01 2wht s LEU 50 Cb -0.28 -3.61 0.75 0.00 0.03 0.00 0.00 46.19 43.08 2wht s LEU 50 CO 0.35 0.02 1.50 -0.81 0.23 0.00 0.00 176.35 177.63 2wht n PRO 51 N 1.69 1.13 -4.35 1.29 -0.04 -1.26 -4.89 135.00 128.56 2wht n PRO 51 Ca -0.01 -0.19 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 2wht n PRO 51 Cb 0.47 -1.23 -0.10 0.00 -0.04 0.00 0.00 33.50 32.59 2wht n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2wht s PHE 52 N -1.95 1.67 0.12 0.54 -0.12 -1.26 -4.65 117.98 112.33 2wht s PHE 52 Ca 0.21 -0.78 -0.34 0.00 -0.05 0.00 0.00 56.93 55.98 2wht s PHE 52 Cb 0.10 -0.93 -0.13 0.00 -0.63 0.00 0.00 43.02 41.43 2wht s PHE 52 CO 0.16 0.14 1.66 0.00 -0.05 0.00 0.00 175.22 177.13 2wht n ALA 53 N -0.44 1.42 -0.30 1.99 0.00 0.36 -4.91 120.51 118.63 2wht n ALA 53 Ca -0.06 0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.81 2wht n ALA 53 Cb 0.63 -2.40 0.17 0.00 0.00 0.00 0.00 19.45 17.84 2wht n ALA 53 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2wht h TRP 54 N 6.72 0.91 -1.19 0.00 2.91 -1.96 -3.06 115.95 120.28 2wht h TRP 54 Ca -0.46 0.03 0.34 0.00 1.13 0.00 0.00 58.89 59.93 2wht h TRP 54 Cb 1.25 -0.28 -0.06 0.00 -0.51 0.00 0.00 29.16 29.55 2wht h TRP 54 CO 0.68 0.39 0.83 -0.44 -1.03 0.00 0.00 178.44 178.87 2wht h ASP 55 N 0.85 0.12 0.61 2.65 3.32 -1.94 0.30 116.42 122.32 2wht h ASP 55 Ca 0.40 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.48 2wht h ASP 55 Cb 0.34 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2wht h ASP 55 CO -0.24 0.01 -0.02 0.16 -1.72 0.00 0.00 179.24 177.43 2wht h ILE 56 N 0.10 0.08 0.00 0.35 3.07 -1.94 -2.95 117.51 116.22 2wht h ILE 56 Ca 0.60 -0.37 -0.16 0.00 1.55 0.00 0.00 64.86 66.48 2wht h ILE 56 Cb 2.15 1.33 -0.03 0.00 -0.27 0.00 0.00 36.82 40.01 2wht h ILE 56 CO -0.10 0.02 -1.51 0.18 -1.05 0.00 0.00 178.15 175.69 2wht n LEU 57 N -3.16 0.72 -0.27 0.16 4.77 0.10 -4.55 117.00 114.77 2wht n LEU 57 Ca -0.01 0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 56.24 2wht n LEU 57 Cb 0.22 0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 2wht n LEU 57 CO 0.25 0.13 1.18 0.77 -1.33 0.00 0.00 177.39 178.39 2wht h SER 58 N 0.00 0.82 0.00 -1.43 4.64 -1.45 -0.39 113.55 115.74 2wht h SER 58 Ca -0.17 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2wht h SER 58 Cb 1.54 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2wht h SER 58 CO 0.04 0.58 0.00 -2.65 -0.87 0.00 0.00 176.83 173.93 2wht n PRO 59 N -4.60 0.65 0.00 4.77 -0.02 -1.26 -2.11 135.00 132.43 2wht n PRO 59 Ca 0.07 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.65 2wht n PRO 59 Cb 0.04 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.11 2wht n PRO 59 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wht n GLN 60 N -0.91 1.38 -1.41 -0.52 1.13 -0.16 -4.82 117.38 112.08 2wht n GLN 60 Ca 0.13 -0.89 -0.30 0.00 -1.94 0.00 0.00 57.00 54.00 2wht n GLN 60 Cb 0.06 -1.39 0.03 0.00 0.11 0.00 0.00 30.24 29.04 2wht n GLN 60 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2wht n LEU 61 N -0.12 7.12 0.00 1.08 4.77 -0.90 -4.94 117.00 124.02 2wht n LEU 61 Ca 0.08 -4.16 0.00 0.00 -0.03 0.00 0.00 56.01 51.90 2wht n LEU 61 Cb 0.41 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2wht n LEU 61 CO 0.26 1.55 0.00 -0.24 -1.33 0.00 0.00 177.39 177.62 2wht n SER 65 N -0.15 0.00 0.25 -1.43 2.88 -1.26 -5.01 113.62 108.90 2wht n SER 65 Ca 0.50 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.17 2wht n SER 65 Cb 0.51 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.62 2wht n SER 65 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2wht h ILE 66 N 0.00 0.46 0.00 2.46 1.08 -2.01 -2.61 117.51 116.89 2wht h ILE 66 Ca 0.00 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 2wht h ILE 66 Cb 0.00 1.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 2wht h ILE 66 CO 0.00 0.14 0.09 -0.65 -0.69 0.00 0.00 178.15 177.04 2wht h PRO 67 N 0.00 0.00 -2.02 2.37 0.11 -1.96 -2.62 132.00 127.87 2wht h PRO 67 Ca -0.00 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.51 2wht h PRO 67 Cb 0.50 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.40 2wht h PRO 67 CO 0.02 0.00 0.67 1.19 -0.21 0.00 0.00 178.00 179.67 2wht n PHE 68 N -2.40 2.08 -4.74 0.65 3.01 -0.98 -4.67 117.46 110.41 2wht n PHE 68 Ca -0.02 -2.09 -0.29 0.00 1.01 0.00 0.00 57.45 56.06 2wht n PHE 68 Cb 0.13 -1.33 -0.17 0.00 -0.01 0.00 0.00 39.48 38.10 2wht n PHE 68 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2wht s THR 69 N -3.15 1.64 -0.35 4.37 2.01 -0.99 -4.12 115.64 115.05 2wht s THR 69 Ca 0.56 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 2wht s THR 69 Cb 0.39 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 71.45 2wht s THR 69 CO -0.28 0.47 1.29 -0.75 -0.69 0.00 0.00 174.62 174.66 2wht s LYS 70 N 0.70 3.82 -0.15 4.92 2.20 -0.52 -4.62 119.74 126.09 2wht s LYS 70 Ca -0.12 1.07 -0.04 0.00 -0.36 0.00 0.00 55.97 56.52 2wht s LYS 70 Cb -0.16 -3.91 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 2wht s LYS 70 CO 0.03 -1.25 -0.01 0.71 -0.36 0.00 0.00 175.35 174.47 2wht s TYR 71 N 4.59 3.09 0.73 4.03 1.51 -1.26 -0.55 117.35 129.48 2wht s TYR 71 Ca 0.56 -0.15 -0.12 0.00 -1.01 0.00 0.00 57.07 56.34 2wht s TYR 71 Cb -0.14 -1.96 0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2wht s TYR 71 CO 0.26 0.08 1.10 -1.25 -1.11 0.00 0.00 175.55 174.63 2wht s PRO 72 N 0.18 2.46 0.34 -1.71 0.04 -1.26 -4.90 135.00 130.15 2wht s PRO 72 Ca -0.00 1.26 0.12 0.00 0.04 0.00 0.00 61.00 62.42 2wht s PRO 72 Cb -0.13 -1.92 0.93 0.00 0.04 0.00 0.00 34.50 33.42 2wht s PRO 72 CO 0.02 -1.49 1.76 0.93 0.04 0.00 0.00 177.00 178.26 2wht h GLU 73 N -0.67 0.55 -0.09 4.56 5.08 -2.00 -1.86 114.58 120.14 2wht h GLU 73 Ca -0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2wht h GLU 73 Cb 1.24 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2wht h GLU 73 CO 0.52 0.36 0.00 -0.40 -1.00 0.00 0.00 179.01 178.49 2wht n ASP 74 N -4.76 1.57 -4.27 1.42 5.75 -1.26 -4.67 116.55 110.33 2wht n ASP 74 Ca 0.25 -1.59 -0.35 0.00 -0.01 0.00 0.00 54.79 53.09 2wht n ASP 74 Cb 0.74 -0.05 -0.14 0.00 -1.03 0.00 0.00 41.12 40.64 2wht n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wht s ILE 75 N -1.90 3.24 0.19 2.12 1.01 -0.70 -5.04 121.20 120.12 2wht s ILE 75 Ca 0.35 -0.68 -0.33 0.00 0.00 0.00 0.00 60.65 59.99 2wht s ILE 75 Cb 0.19 -2.54 -0.14 0.00 0.01 0.00 0.00 42.46 39.98 2wht s ILE 75 CO 0.30 0.33 1.44 -2.65 0.00 0.00 0.00 174.94 174.36 2wht n PRO 76 N 4.76 1.91 -3.16 2.79 -0.02 -1.26 -4.62 135.00 135.41 2wht n PRO 76 Ca -0.17 0.68 -0.45 0.00 -2.02 0.00 0.00 63.50 61.54 2wht n PRO 76 Cb 0.49 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2wht n PRO 76 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wht s ASP 77 N 0.50 6.50 0.23 2.55 -1.08 -1.26 -4.39 116.67 119.72 2wht s ASP 77 Ca 0.74 -2.05 -0.06 0.00 -0.52 0.00 0.00 52.55 50.66 2wht s ASP 77 Cb -0.71 -2.29 0.35 0.00 -1.46 0.00 0.00 42.92 38.82 2wht s ASP 77 CO 0.45 -0.89 1.80 0.22 0.52 0.00 0.00 175.17 177.28 2wht h TYR 78 N 8.58 0.78 0.16 -5.34 3.20 -1.91 -1.69 116.97 120.75 2wht h TYR 78 Ca -0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2wht h TYR 78 Cb 1.06 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2wht h TYR 78 CO 0.98 0.32 -0.08 0.74 -1.64 0.00 0.00 178.16 178.48 2wht h PHE 79 N 0.74 -0.20 -0.60 -3.82 0.04 -1.93 -2.74 116.94 108.43 2wht h PHE 79 Ca 0.37 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.05 2wht h PHE 79 Cb 0.32 0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 2wht h PHE 79 CO -0.07 0.18 0.05 0.87 -0.60 0.00 0.00 178.31 178.74 2wht h LYS 80 N -0.64 1.00 -0.35 1.51 1.57 -1.89 -2.59 116.57 115.19 2wht h LYS 80 Ca -0.02 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2wht h LYS 80 Cb 0.47 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2wht h LYS 80 CO 0.04 0.95 0.24 1.96 -0.57 0.00 0.00 179.45 182.07 2wht h GLN 81 N 0.93 0.30 0.00 3.15 4.20 -1.32 -2.94 115.11 119.43 2wht h GLN 81 Ca 0.18 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2wht h GLN 81 Cb 0.47 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2wht h GLN 81 CO 0.02 0.20 -0.02 0.66 -0.67 0.00 0.00 178.83 179.02 2wht h SER 82 N 0.31 0.00 -4.16 1.46 4.64 -1.14 -3.44 113.55 111.22 2wht h SER 82 Ca 0.15 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.00 2wht h SER 82 Cb 0.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2wht h SER 82 CO -0.03 0.02 0.36 -0.36 -0.87 0.00 0.00 176.83 175.95 2wht s PHE 83 N -3.87 3.44 -0.49 4.77 0.40 -1.11 -0.35 117.98 120.77 2wht s PHE 83 Ca -0.01 1.45 0.26 0.00 -0.60 0.00 0.00 56.93 58.03 2wht s PHE 83 Cb 0.11 -2.78 0.90 0.00 0.51 0.00 0.00 43.02 41.76 2wht s PHE 83 CO 0.51 -0.34 1.76 -1.00 0.70 0.00 0.00 175.22 176.86 2wht h PRO 84 N 1.01 0.00 -0.79 0.24 0.13 -1.90 -3.45 132.00 127.24 2wht h PRO 84 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2wht h PRO 84 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2wht h PRO 84 CO 0.62 0.00 0.49 0.93 -0.23 0.00 0.00 178.00 179.81 2wht h GLU 85 N 0.00 0.92 0.00 0.86 3.07 -1.88 -3.39 114.58 114.16 2wht h GLU 85 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2wht h GLU 85 Cb 0.59 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2wht h GLU 85 CO 0.00 0.61 0.00 0.41 -1.40 0.00 0.00 179.01 178.63 2wht n GLY 86 N -1.31 -1.76 3.51 -3.84 0.00 0.53 -4.81 105.19 97.50 2wht n GLY 86 Ca 0.10 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 2wht n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wht s TYR 87 N 0.00 0.49 0.36 1.61 -0.85 -0.92 -1.05 117.35 116.99 2wht s TYR 87 Ca 0.00 -0.83 0.05 0.00 -0.52 0.00 0.00 57.07 55.77 2wht s TYR 87 Cb 0.00 0.05 -0.07 0.00 0.38 0.00 0.00 41.96 42.32 2wht s TYR 87 CO 0.00 -0.91 0.04 0.95 -1.52 0.00 0.00 175.55 174.11 2wht s THR 88 N -4.04 1.45 0.07 -3.49 -4.23 -0.05 -0.73 115.64 104.62 2wht s THR 88 Ca 0.25 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.59 2wht s THR 88 Cb 0.01 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 71.03 2wht s THR 88 CO 0.09 0.00 0.39 -1.66 -0.54 0.00 0.00 174.62 172.89 2wht s TRP 89 N -3.10 -0.21 0.06 3.99 1.48 -0.89 -0.55 118.94 119.73 2wht s TRP 89 Ca 0.35 0.04 0.07 0.00 -1.06 0.00 0.00 56.10 55.51 2wht s TRP 89 Cb 0.09 0.21 -0.03 0.00 -1.16 0.00 0.00 33.47 32.58 2wht s TRP 89 CO 0.16 -0.61 -0.20 -1.21 -4.06 0.00 0.00 176.95 171.03 2wht s GLU 90 N -3.03 1.28 -0.08 3.25 2.02 -0.19 -1.21 118.70 120.73 2wht s GLU 90 Ca -0.02 -1.00 -0.07 0.00 0.02 0.00 0.00 54.97 53.90 2wht s GLU 90 Cb 0.00 -1.43 0.02 0.00 0.10 0.00 0.00 34.13 32.83 2wht s GLU 90 CO -0.06 0.35 0.22 0.50 0.02 0.00 0.00 175.26 176.29 2wht s ARG 91 N -1.42 0.25 -0.10 1.61 3.52 -0.25 -0.35 118.95 122.21 2wht s ARG 91 Ca 0.07 0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 55.99 2wht s ARG 91 Cb -0.09 0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.36 2wht s ARG 91 CO 0.03 -0.05 -0.05 -1.12 -0.81 0.00 0.00 175.30 173.30 2wht s SER 92 N 0.25 4.78 -0.35 -2.12 0.01 0.55 -0.41 113.70 116.41 2wht s SER 92 Ca -0.01 -0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.17 2wht s SER 92 Cb -0.03 -1.43 0.07 0.00 0.21 0.00 0.00 66.02 64.84 2wht s SER 92 CO -0.01 0.30 0.12 -0.04 0.41 0.00 0.00 173.24 174.02 2wht s MET 93 N -0.41 2.40 -0.51 12.44 -1.94 0.11 -1.20 119.30 130.20 2wht s MET 93 Ca 0.06 -1.40 -0.14 0.00 -1.71 0.00 0.00 55.69 52.50 2wht s MET 93 Cb -0.12 -3.45 0.12 0.00 2.01 0.00 0.00 34.83 33.39 2wht s MET 93 CO 0.02 -0.79 0.44 -0.80 -0.01 0.00 0.00 175.02 173.88 2wht s ASN 94 N 1.56 6.04 0.42 3.03 0.01 0.34 -1.02 114.94 125.32 2wht s ASN 94 Ca 0.00 -1.73 -0.22 0.00 -0.71 0.00 0.00 52.86 50.20 2wht s ASN 94 Cb -0.21 -2.15 -0.11 0.00 0.41 0.00 0.00 41.25 39.20 2wht s ASN 94 CO -0.00 -0.77 0.95 -0.36 -1.51 0.00 0.00 177.10 175.41 2wht s PHE 95 N 1.54 3.35 0.55 2.20 0.08 -0.51 -0.86 117.98 124.33 2wht s PHE 95 Ca 0.04 1.63 0.25 0.00 0.12 0.00 0.00 56.93 58.97 2wht s PHE 95 Cb -0.28 -2.87 1.44 0.00 -0.57 0.00 0.00 43.02 40.74 2wht s PHE 95 CO 0.03 -0.09 2.03 1.05 -0.10 0.00 0.00 175.22 178.13 2wht h GLU 96 N 2.08 0.00 -0.64 0.44 4.11 -1.48 -1.29 114.58 117.80 2wht h GLU 96 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2wht h GLU 96 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2wht h GLU 96 CO 0.61 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.29 2wht n ASP 97 N -4.23 4.29 0.00 3.06 5.75 -1.26 -4.94 116.55 119.22 2wht n ASP 97 Ca 0.06 -2.50 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 2wht n ASP 97 Cb 0.49 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2wht n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wht n GLY 98 N 0.82 1.79 3.76 6.12 0.00 -0.49 -4.85 105.19 112.34 2wht n GLY 98 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2wht n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wht s ALA 99 N -2.34 2.87 -0.01 4.61 0.00 -1.23 -4.85 121.76 120.81 2wht s ALA 99 Ca 0.00 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.16 2wht s ALA 99 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2wht s ALA 99 CO 0.00 -1.12 -0.05 0.08 0.00 0.00 0.00 175.76 174.67 2wht s VAL 100 N -1.39 0.45 -0.05 0.00 1.01 -0.83 -1.43 120.40 118.17 2wht s VAL 100 Ca 0.69 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.53 2wht s VAL 100 Cb -0.36 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 2wht s VAL 100 CO 0.43 0.15 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 2wht s THR 102 N -0.52 3.33 0.02 0.00 -4.23 0.17 0.08 115.64 114.49 2wht s THR 102 Ca 0.07 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 60.01 2wht s THR 102 Cb -0.11 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 2wht s THR 102 CO 0.01 0.58 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.86 2wht s VAL 103 N -0.53 0.88 0.04 2.29 1.01 0.45 -1.06 120.40 123.49 2wht s VAL 103 Ca 0.07 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2wht s VAL 103 Cb -0.12 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2wht s VAL 103 CO 0.02 0.03 -0.05 -0.94 0.00 0.00 0.00 175.10 174.16 2wht s SER 104 N -0.83 0.62 -0.02 3.32 1.04 -0.31 -1.09 113.70 116.43 2wht s SER 104 Ca 0.01 -0.69 -0.06 0.00 0.48 0.00 0.00 55.95 55.69 2wht s SER 104 Cb -0.06 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.16 2wht s SER 104 CO 0.00 -0.35 0.13 0.21 0.98 0.00 0.00 173.24 174.22 2wht s ASN 105 N -2.01 -0.05 -0.07 7.02 2.47 -0.35 -1.08 114.94 120.87 2wht s ASN 105 Ca -0.06 0.02 0.05 0.00 0.42 0.00 0.00 52.86 53.30 2wht s ASN 105 Cb -0.04 0.25 -0.01 0.00 -1.45 0.00 0.00 41.25 40.00 2wht s ASN 105 CO -0.03 -0.21 -0.25 -0.62 -3.72 0.00 0.00 177.10 172.28 2wht s ASP 106 N -0.67 3.08 -0.14 -4.21 -1.08 -0.44 -2.10 116.67 111.11 2wht s ASP 106 Ca -0.08 -0.53 0.01 0.00 -0.52 0.00 0.00 52.55 51.44 2wht s ASP 106 Cb -0.05 -1.03 0.02 0.00 -1.46 0.00 0.00 42.92 40.40 2wht s ASP 106 CO 0.01 0.22 -0.17 -0.44 0.52 0.00 0.00 175.17 175.31 2wht s SER 107 N -0.00 2.73 0.22 -0.34 0.01 0.09 -1.00 113.70 115.40 2wht s SER 107 Ca -0.09 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.70 2wht s SER 107 Cb -0.15 -1.23 -0.01 0.00 0.21 0.00 0.00 66.02 64.84 2wht s SER 107 CO 0.05 -0.00 0.11 -1.54 0.41 0.00 0.00 173.24 172.27 2wht n SER 108 N 4.46 0.60 -3.90 2.44 3.41 -0.18 -2.17 113.62 118.27 2wht n SER 108 Ca -0.19 -2.24 -0.11 0.00 -0.26 0.00 0.00 58.87 56.08 2wht n SER 108 Cb 0.51 0.71 -0.12 0.00 -0.26 0.00 0.00 64.21 65.04 2wht n SER 108 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2wht s ILE 109 N -2.53 0.05 -0.28 -1.33 2.07 -1.26 -0.77 121.20 117.15 2wht s ILE 109 Ca 0.15 -0.41 -0.01 0.00 -1.41 0.00 0.00 60.65 58.97 2wht s ILE 109 Cb 0.01 -0.18 0.09 0.00 0.13 0.00 0.00 42.46 42.51 2wht s ILE 109 CO 0.11 -0.23 0.07 -1.58 -1.91 0.00 0.00 174.94 171.40 2wht s GLN 110 N -0.68 0.85 5.35 3.50 2.00 0.31 -4.93 119.66 126.06 2wht s GLN 110 Ca -0.08 -0.99 0.00 0.00 -2.00 0.00 0.00 55.36 52.29 2wht s GLN 110 Cb -0.05 -2.14 0.00 0.00 0.80 0.00 0.00 33.01 31.62 2wht s GLN 110 CO -0.00 -0.88 0.00 0.41 -0.50 0.00 0.00 175.29 174.32 2wht n GLY 111 N 4.83 3.56 2.12 2.59 0.00 -1.26 -1.73 105.19 115.29 2wht n GLY 111 Ca -0.04 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2wht n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wht n ASN 112 N 5.96 3.71 -3.81 1.61 5.03 -1.26 -4.85 115.26 121.65 2wht n ASN 112 Ca 0.00 -3.46 -0.23 0.00 0.87 0.00 0.00 54.58 51.76 2wht n ASN 112 Cb 0.00 -0.81 -0.17 0.00 -1.02 0.00 0.00 39.78 37.78 2wht n ASN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wht s PHE 114 N 1.78 3.54 -0.20 0.00 0.08 -0.03 -0.53 117.98 122.62 2wht s PHE 114 Ca 0.03 1.73 0.00 0.00 0.12 0.00 0.00 56.93 58.81 2wht s PHE 114 Cb -0.13 -3.00 0.02 0.00 -0.57 0.00 0.00 43.02 39.35 2wht s PHE 114 CO -0.05 -0.10 -0.16 0.42 -0.10 0.00 0.00 175.22 175.23 2wht s ILE 115 N -1.63 2.30 -0.16 0.64 1.01 0.05 -0.65 121.20 122.76 2wht s ILE 115 Ca 0.53 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 2wht s ILE 115 Cb -0.20 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2wht s ILE 115 CO 0.25 0.41 -0.01 -0.31 0.00 0.00 0.00 174.94 175.28 2wht s TYR 116 N 1.29 3.09 -0.31 3.97 2.02 0.05 -1.01 117.35 126.44 2wht s TYR 116 Ca 0.03 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 2wht s TYR 116 Cb -0.14 -1.98 0.07 0.00 -0.40 0.00 0.00 41.96 39.51 2wht s TYR 116 CO -0.10 0.03 -0.00 1.21 -1.57 0.00 0.00 175.55 175.12 2wht s ASN 117 N 0.32 4.74 -0.01 2.29 3.84 -0.17 -0.06 114.94 125.89 2wht s ASN 117 Ca -0.02 -1.64 0.07 0.00 0.21 0.00 0.00 52.86 51.48 2wht s ASN 117 Cb -0.14 -1.65 -0.02 0.00 -0.55 0.00 0.00 41.25 38.89 2wht s ASN 117 CO 0.02 -0.30 -0.23 -0.69 -2.79 0.00 0.00 177.10 173.11 2wht s VAL 118 N 1.09 2.31 -0.03 -5.21 1.01 0.76 -1.33 120.40 119.01 2wht s VAL 118 Ca -0.01 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2wht s VAL 118 Cb -0.20 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2wht s VAL 118 CO -0.05 0.53 -0.07 -0.54 0.00 0.00 0.00 175.10 174.97 2wht s LYS 119 N -0.81 0.86 -0.05 2.72 1.02 -0.24 -1.32 119.74 121.93 2wht s LYS 119 Ca 0.11 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 55.88 2wht s LYS 119 Cb -0.10 -0.82 0.02 0.00 -0.52 0.00 0.00 37.83 36.41 2wht s LYS 119 CO 0.00 0.06 -0.08 -1.50 -0.92 0.00 0.00 175.35 172.92 2wht s ILE 120 N 0.34 0.79 -0.17 2.17 2.07 -0.55 -1.17 121.20 124.67 2wht s ILE 120 Ca -0.05 -0.28 0.01 0.00 -1.41 0.00 0.00 60.65 58.92 2wht s ILE 120 Cb -0.09 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 41.76 2wht s ILE 120 CO 0.00 0.28 -0.19 -0.55 -1.91 0.00 0.00 174.94 172.57 2wht s SER 121 N 0.77 3.04 -0.06 4.50 0.15 -0.22 -1.27 113.70 120.61 2wht s SER 121 Ca -0.13 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 55.96 2wht s SER 121 Cb -0.15 -1.42 -0.01 0.00 -1.71 0.00 0.00 66.02 62.73 2wht s SER 121 CO 0.02 -0.01 -0.23 -0.83 1.20 0.00 0.00 173.24 173.39 2wht s GLY 122 N 1.31 1.22 0.19 9.45 0.00 0.57 -0.66 107.32 119.40 2wht s GLY 122 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2wht s GLY 122 CO -0.12 -0.55 0.07 -1.83 0.00 0.00 0.00 173.10 170.66 2wht s GLU 123 N -0.07 1.17 -1.09 2.90 -1.05 -0.52 -0.79 118.70 119.24 2wht s GLU 123 Ca -0.05 -1.60 -0.00 0.00 -0.15 0.00 0.00 54.97 53.17 2wht s GLU 123 Cb -0.14 -0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.50 2wht s GLU 123 CO 0.04 -0.26 0.02 0.09 0.95 0.00 0.00 175.26 176.10 2wht n ASN 124 N -0.28 -4.04 -4.67 0.83 3.02 -1.26 -1.95 115.26 106.90 2wht n ASN 124 Ca -0.03 -0.02 -0.43 0.00 -0.03 0.00 0.00 54.58 54.08 2wht n ASN 124 Cb 0.65 -3.22 -0.02 0.00 -0.61 0.00 0.00 39.78 36.57 2wht n ASN 124 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wht s PHE 125 N -2.65 2.89 0.28 3.10 0.08 -1.26 -3.51 117.98 116.90 2wht s PHE 125 Ca 0.01 1.00 -0.30 0.00 0.12 0.00 0.00 56.93 57.76 2wht s PHE 125 Cb -0.00 -3.52 -0.12 0.00 -0.57 0.00 0.00 43.02 38.81 2wht s PHE 125 CO 0.01 -1.77 1.53 -2.30 -0.10 0.00 0.00 175.22 172.59 2wht n PRO 126 N 6.19 2.51 0.03 0.24 -0.02 -1.26 -4.85 135.00 137.84 2wht n PRO 126 Ca 0.13 0.89 0.19 0.00 -2.02 0.00 0.00 63.50 62.70 2wht n PRO 126 Cb 0.45 -2.63 0.70 0.00 -0.02 0.00 0.00 33.50 32.00 2wht n PRO 126 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2wht h PRO 127 N 4.50 0.00 -0.51 0.52 0.11 -1.98 0.11 132.00 134.75 2wht h PRO 127 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wht h PRO 127 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2wht h PRO 127 CO 0.77 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.65 2wht n ASN 128 N -4.30 3.42 -4.74 -2.05 3.02 -1.26 -4.47 115.26 104.88 2wht n ASN 128 Ca 0.08 -1.97 -0.30 0.00 -0.03 0.00 0.00 54.58 52.37 2wht n ASN 128 Cb 0.56 -0.33 0.13 0.00 -0.61 0.00 0.00 39.78 39.53 2wht n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2wht s GLY 129 N -1.08 1.61 0.57 7.41 0.00 0.38 -4.81 107.32 111.40 2wht s GLY 129 Ca 0.37 -0.20 0.34 0.00 0.00 0.00 0.00 44.72 45.22 2wht s GLY 129 CO 0.26 0.30 2.14 -0.56 0.00 0.00 0.00 173.10 175.23 2wht h PRO 130 N -1.46 0.00 0.42 2.90 0.13 -1.94 -1.63 132.00 130.42 2wht h PRO 130 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2wht h PRO 130 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2wht h PRO 130 CO 0.57 0.05 -0.20 0.28 -0.23 0.00 0.00 178.00 178.47 2wht h VAL 131 N 0.00 0.08 0.00 1.56 2.07 -1.92 0.11 116.25 118.15 2wht h VAL 131 Ca -0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2wht h VAL 131 Cb 0.29 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2wht h VAL 131 CO 0.01 0.02 0.00 0.24 0.02 0.00 0.00 177.57 177.86 2wht h MET 132 N -1.13 0.00 -0.05 1.57 2.86 -1.78 0.12 114.93 116.52 2wht h MET 132 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2wht h MET 132 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2wht h MET 132 CO 0.10 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.11 2wht n GLN 133 N -3.07 2.34 -3.67 1.72 1.13 -0.62 -4.70 117.38 110.51 2wht n GLN 133 Ca -0.01 -1.95 -0.21 0.00 -1.94 0.00 0.00 57.00 52.88 2wht n GLN 133 Cb 0.18 -1.46 0.04 0.00 0.11 0.00 0.00 30.24 29.11 2wht n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wht n LYS 134 N 1.36 -5.30 -0.20 -1.09 5.02 -0.44 -4.91 118.16 112.59 2wht n LYS 134 Ca 0.14 0.66 0.10 0.00 -2.02 0.00 0.00 58.31 57.19 2wht n LYS 134 Cb 0.60 -5.33 0.20 0.00 -0.02 0.00 0.00 35.03 30.48 2wht n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wht n LYS 135 N -4.30 2.40 -2.68 1.97 4.76 0.26 -5.00 118.16 115.58 2wht n LYS 135 Ca -0.27 -2.17 -0.31 0.00 -2.87 0.00 0.00 58.31 52.69 2wht n LYS 135 Cb 0.66 -1.43 -0.04 0.00 -1.84 0.00 0.00 35.03 32.39 2wht n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2wht s THR 136 N -1.20 4.66 -0.32 -0.18 -4.23 -1.25 -1.77 115.64 111.36 2wht s THR 136 Ca 0.34 0.91 0.17 0.00 -1.18 0.00 0.00 61.69 61.93 2wht s THR 136 Cb 0.19 -3.72 0.46 0.00 1.34 0.00 0.00 72.50 70.78 2wht s THR 136 CO 0.26 -0.57 1.00 0.00 -0.54 0.00 0.00 174.62 174.77 2wht n GLN 137 N -1.35 1.51 0.00 3.99 6.02 -0.02 -4.84 117.38 122.69 2wht n GLN 137 Ca 0.04 -3.43 0.00 0.00 -0.01 0.00 0.00 57.00 53.60 2wht n GLN 137 Cb 0.54 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.38 2wht n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wht n GLY 138 N -0.20 0.03 3.80 1.08 0.00 -1.26 -4.60 105.19 104.04 2wht n GLY 138 Ca 0.12 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 2wht n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wht s TRP 139 N -2.94 3.73 0.54 1.61 0.52 -1.26 -0.98 118.94 120.15 2wht s TRP 139 Ca 0.00 1.52 -0.19 0.00 0.02 0.00 0.00 56.10 57.45 2wht s TRP 139 Cb 0.00 -2.71 -0.06 0.00 -1.15 0.00 0.00 33.47 29.55 2wht s TRP 139 CO 0.00 0.37 1.08 -1.21 0.02 0.00 0.00 176.95 177.20 2wht s GLU 140 N -1.76 3.48 0.72 4.98 0.41 -0.24 -4.77 118.70 121.53 2wht s GLU 140 Ca 0.42 1.41 -0.16 0.00 -0.41 0.00 0.00 54.97 56.23 2wht s GLU 140 Cb -0.19 -2.04 -0.02 0.00 -1.78 0.00 0.00 34.13 30.10 2wht s GLU 140 CO 0.23 -0.70 0.72 -2.30 -0.49 0.00 0.00 175.26 172.71 2wht n PRO 141 N -1.41 0.39 -4.03 0.39 -0.02 -1.26 -4.76 135.00 124.30 2wht n PRO 141 Ca 0.10 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.66 2wht n PRO 141 Cb 0.52 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.93 2wht n PRO 141 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2wht s SER 142 N -1.55 0.11 -0.19 2.55 1.04 -0.64 -4.95 113.70 110.07 2wht s SER 142 Ca 0.69 -0.99 -0.01 0.00 0.48 0.00 0.00 55.95 56.11 2wht s SER 142 Cb -0.35 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.23 2wht s SER 142 CO 0.55 -0.86 -0.01 -0.89 0.98 0.00 0.00 173.24 173.01 2wht s THR 143 N -4.00 0.94 0.05 2.02 2.01 -1.26 -0.05 115.64 115.35 2wht s THR 143 Ca 0.20 -0.72 -0.26 0.00 0.31 0.00 0.00 61.69 61.23 2wht s THR 143 Cb 0.04 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 2wht s THR 143 CO 0.02 -0.07 0.80 -0.70 -0.69 0.00 0.00 174.62 173.98 2wht s GLU 144 N 1.68 4.53 -0.20 4.92 2.12 -0.02 -4.64 118.70 127.09 2wht s GLU 144 Ca -0.02 1.13 -0.07 0.00 0.36 0.00 0.00 54.97 56.37 2wht s GLU 144 Cb -0.17 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2wht s GLU 144 CO -0.07 0.26 0.07 1.03 -0.54 0.00 0.00 175.26 176.01 2wht s ARG 145 N -0.02 3.89 0.04 4.30 0.52 -0.00 -0.99 118.95 126.69 2wht s ARG 145 Ca 0.40 -0.38 0.07 0.00 -0.52 0.00 0.00 55.73 55.30 2wht s ARG 145 Cb -0.21 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 31.99 2wht s ARG 145 CO 0.24 0.15 -0.21 -0.51 0.02 0.00 0.00 175.30 174.99 2wht s LEU 146 N 0.71 2.16 0.08 2.53 1.02 0.54 -1.04 118.68 124.67 2wht s LEU 146 Ca 0.03 -0.51 -0.07 0.00 0.02 0.00 0.00 54.13 53.60 2wht s LEU 146 Cb -0.13 -0.99 -0.01 0.00 0.02 0.00 0.00 46.19 45.08 2wht s LEU 146 CO 0.02 0.17 0.15 0.72 0.02 0.00 0.00 176.35 177.43 2wht s PHE 147 N -0.77 0.20 0.15 0.29 -0.12 -0.39 -1.74 117.98 115.61 2wht s PHE 147 Ca 0.08 -0.64 -0.15 0.00 -0.05 0.00 0.00 56.93 56.16 2wht s PHE 147 Cb -0.09 -0.11 -0.07 0.00 -0.63 0.00 0.00 43.02 42.12 2wht s PHE 147 CO 0.02 -0.51 0.57 0.00 -0.05 0.00 0.00 175.22 175.25 2wht s ALA 148 N -3.76 3.56 -0.25 1.99 0.00 -1.26 -0.38 121.76 121.66 2wht s ALA 148 Ca 0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.84 2wht s ALA 148 Cb 0.05 -2.57 0.12 0.00 0.00 0.00 0.00 23.12 20.72 2wht s ALA 148 CO -0.10 0.44 0.53 0.50 0.00 0.00 0.00 175.76 177.12 2wht s ARG 149 N -1.92 0.45 -1.41 0.00 3.52 0.95 -4.93 118.95 115.62 2wht s ARG 149 Ca 0.38 1.20 -0.01 0.00 -0.13 0.00 0.00 55.73 57.17 2wht s ARG 149 Cb -0.15 0.55 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 2wht s ARG 149 CO 0.19 -0.27 0.44 -0.25 -0.81 0.00 0.00 175.30 174.60 2wht n ASP 150 N 5.42 -0.44 0.00 -2.12 8.00 -1.26 -0.74 116.55 125.41 2wht n ASP 150 Ca -0.09 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.41 2wht n ASP 150 Cb 0.49 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 38.49 2wht n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wht n GLY 151 N -1.95 0.64 3.69 0.44 0.00 -1.26 -4.99 105.19 101.76 2wht n GLY 151 Ca -0.30 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 2wht n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wht s MET 152 N -0.35 2.39 -0.16 1.61 -1.94 0.08 -4.56 119.30 116.37 2wht s MET 152 Ca 0.00 -1.41 -0.05 0.00 -1.71 0.00 0.00 55.69 52.53 2wht s MET 152 Cb 0.00 -2.21 -0.03 0.00 2.01 0.00 0.00 34.83 34.59 2wht s MET 152 CO 0.00 0.31 0.00 -0.51 -0.01 0.00 0.00 175.02 174.81 2wht s LEU 153 N -3.74 3.48 -0.17 -0.03 1.02 -0.66 -0.03 118.68 118.55 2wht s LEU 153 Ca 0.33 -0.03 -0.03 0.00 0.02 0.00 0.00 54.13 54.43 2wht s LEU 153 Cb -0.06 -1.85 -0.02 0.00 0.02 0.00 0.00 46.19 44.29 2wht s LEU 153 CO 0.21 0.20 -0.07 -0.63 0.02 0.00 0.00 176.35 176.08 2wht s ILE 154 N 0.22 3.45 0.01 -0.59 -1.09 0.49 -0.32 121.20 123.37 2wht s ILE 154 Ca 0.00 -0.50 0.09 0.00 -2.23 0.00 0.00 60.65 58.01 2wht s ILE 154 Cb -0.13 -2.51 -0.02 0.00 -1.58 0.00 0.00 42.46 38.21 2wht s ILE 154 CO 0.02 0.48 -0.26 -0.83 -1.23 0.00 0.00 174.94 173.12 2wht s GLY 155 N 0.72 1.35 -0.02 6.18 0.00 0.37 -1.26 107.32 114.67 2wht s GLY 155 Ca -0.03 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 43.52 2wht s GLY 155 CO 0.02 -1.05 -0.10 -1.31 0.00 0.00 0.00 173.10 170.67 2wht s ASN 156 N -0.96 1.20 -0.12 1.64 0.01 -0.21 -0.65 114.94 115.85 2wht s ASN 156 Ca 0.11 -0.19 -0.05 0.00 -0.71 0.00 0.00 52.86 52.02 2wht s ASN 156 Cb -0.10 -0.21 0.06 0.00 0.41 0.00 0.00 41.25 41.41 2wht s ASN 156 CO 0.01 0.10 0.27 -0.62 -1.51 0.00 0.00 177.10 175.35 2wht s ASP 157 N -0.06 -0.03 -0.60 -1.22 -1.08 -0.64 -0.82 116.67 112.21 2wht s ASP 157 Ca 0.01 0.60 -0.19 0.00 -0.52 0.00 0.00 52.55 52.45 2wht s ASP 157 Cb -0.06 0.60 0.11 0.00 -1.46 0.00 0.00 42.92 42.10 2wht s ASP 157 CO -0.00 -0.20 0.72 -0.31 0.52 0.00 0.00 175.17 175.89 2wht s TYR 158 N 1.81 3.01 0.20 -5.34 2.02 -1.26 -0.25 117.35 117.54 2wht s TYR 158 Ca -0.05 -0.98 0.01 0.00 -0.37 0.00 0.00 57.07 55.68 2wht s TYR 158 Cb -0.11 -4.02 -0.04 0.00 -0.40 0.00 0.00 41.96 37.39 2wht s TYR 158 CO -0.09 -1.30 0.37 -1.64 -1.57 0.00 0.00 175.55 171.32 2wht s MET 159 N 2.66 3.48 -0.04 -0.62 -1.94 0.84 -4.90 119.30 118.78 2wht s MET 159 Ca 0.12 -0.48 -0.00 0.00 -1.71 0.00 0.00 55.69 53.62 2wht s MET 159 Cb -0.24 -2.87 0.03 0.00 2.01 0.00 0.00 34.83 33.76 2wht s MET 159 CO 0.06 0.42 0.01 0.00 -0.01 0.00 0.00 175.02 175.49 2wht s ALA 160 N -1.88 0.37 -0.16 3.03 0.00 -1.26 -0.89 121.76 120.97 2wht s ALA 160 Ca 0.37 0.12 -0.21 0.00 0.00 0.00 0.00 51.96 52.24 2wht s ALA 160 Cb -0.11 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2wht s ALA 160 CO 0.29 -0.17 0.61 -0.51 0.00 0.00 0.00 175.76 175.98 2wht s LEU 161 N 1.28 4.20 0.51 0.00 1.43 0.01 -1.08 118.68 125.04 2wht s LEU 161 Ca -0.06 0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 53.70 2wht s LEU 161 Cb -0.13 -2.88 -0.06 0.00 0.03 0.00 0.00 46.19 43.15 2wht s LEU 161 CO -0.02 -0.20 1.33 -0.54 0.23 0.00 0.00 176.35 177.15 2wht s LYS 162 N 1.49 3.35 0.02 1.70 1.02 -0.16 -0.40 119.74 126.77 2wht s LYS 162 Ca 0.30 2.16 0.08 0.00 0.02 0.00 0.00 55.97 58.53 2wht s LYS 162 Cb -0.16 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 2wht s LYS 162 CO 0.12 -1.00 -0.23 -0.51 -0.92 0.00 0.00 175.35 172.81 2wht s LEU 163 N -3.29 2.32 0.03 3.17 1.43 -0.35 -0.84 118.68 121.15 2wht s LEU 163 Ca 0.68 -0.47 -0.37 0.00 -1.03 0.00 0.00 54.13 52.94 2wht s LEU 163 Cb -0.38 -1.39 -0.16 0.00 0.03 0.00 0.00 46.19 44.28 2wht s LEU 163 CO 0.46 0.28 1.45 1.21 0.23 0.00 0.00 176.35 179.98 2wht n GLU 164 N 1.95 1.27 -1.01 1.70 2.13 -0.73 -0.42 120.64 125.54 2wht n GLU 164 Ca -0.17 0.46 -0.00 0.00 0.66 0.00 0.00 57.16 58.11 2wht n GLU 164 Cb 0.52 -2.13 -0.00 0.00 0.27 0.00 0.00 31.44 30.10 2wht n GLU 164 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wht n GLY 165 N 2.94 0.42 0.00 8.31 0.00 -1.26 -4.93 105.19 110.67 2wht n GLY 165 Ca 0.20 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2wht n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wht n GLY 166 N -2.95 -2.14 1.11 -0.02 0.00 0.44 -5.09 105.19 96.54 2wht n GLY 166 Ca -0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2wht n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wht n GLY 167 N -2.09 -2.56 3.04 -0.02 0.00 -1.26 -4.52 105.19 97.77 2wht n GLY 167 Ca 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 2wht n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wht s HIS 168 N -0.80 0.42 -0.26 1.61 0.09 -1.26 -1.21 115.29 113.89 2wht s HIS 168 Ca 0.00 -0.73 0.03 0.00 -0.00 0.00 0.00 55.06 54.35 2wht s HIS 168 Cb 0.00 -0.30 0.06 0.00 -0.00 0.00 0.00 32.58 32.34 2wht s HIS 168 CO 0.00 -0.24 -0.10 -0.47 -0.00 0.00 0.00 174.74 173.92 2wht s TYR 169 N -2.42 3.18 0.27 1.40 5.04 0.47 -4.94 117.35 120.34 2wht s TYR 169 Ca -0.06 -2.27 -0.11 0.00 -2.44 0.00 0.00 57.07 52.19 2wht s TYR 169 Cb -0.03 -1.89 -0.08 0.00 0.35 0.00 0.00 41.96 40.31 2wht s TYR 169 CO -0.04 -0.87 0.62 -0.51 -1.34 0.00 0.00 175.55 173.41 2wht s LEU 170 N 1.13 4.11 -0.13 6.97 1.43 -1.26 -0.81 118.68 130.12 2wht s LEU 170 Ca -0.09 1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.98 2wht s LEU 170 Cb -0.20 -3.83 0.05 0.00 0.03 0.00 0.00 46.19 42.25 2wht s LEU 170 CO -0.05 -0.14 0.32 0.00 0.23 0.00 0.00 176.35 176.71 2wht s GLU 172 N 1.29 4.15 -0.17 0.00 2.12 -0.04 -0.11 118.70 125.93 2wht s GLU 172 Ca -0.09 0.43 -0.15 0.00 0.36 0.00 0.00 54.97 55.52 2wht s GLU 172 Cb -0.09 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 2wht s GLU 172 CO -0.10 -0.25 0.37 -0.06 -0.54 0.00 0.00 175.26 174.68 2wht s PHE 173 N 1.96 3.42 -0.16 5.30 0.40 0.65 -0.50 117.98 129.06 2wht s PHE 173 Ca 0.24 0.65 0.01 0.00 -0.60 0.00 0.00 56.93 57.23 2wht s PHE 173 Cb -0.16 -2.47 0.02 0.00 0.51 0.00 0.00 43.02 40.93 2wht s PHE 173 CO 0.09 0.10 -0.18 0.15 0.70 0.00 0.00 175.22 176.08 2wht s LYS 174 N 0.92 2.71 0.03 0.44 1.02 -0.34 -1.62 119.74 122.90 2wht s LYS 174 Ca 0.19 -0.73 0.06 0.00 0.02 0.00 0.00 55.97 55.52 2wht s LYS 174 Cb -0.14 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 2wht s LYS 174 CO 0.07 -0.16 -0.18 -1.12 -0.92 0.00 0.00 175.35 173.03 2wht s SER 175 N 1.22 2.16 -0.16 2.83 0.01 0.18 -0.33 113.70 119.62 2wht s SER 175 Ca 0.01 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.82 2wht s SER 175 Cb -0.14 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 65.93 2wht s SER 175 CO -0.09 0.14 -0.16 -0.89 0.41 0.00 0.00 173.24 172.64 2wht s THR 176 N -0.73 1.74 -0.16 1.44 2.01 0.52 -0.48 115.64 119.99 2wht s THR 176 Ca 0.06 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 2wht s THR 176 Cb -0.08 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 2wht s THR 176 CO 0.01 0.49 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.08 2wht s TYR 177 N 1.37 3.01 -0.25 4.92 2.02 0.57 -1.02 117.35 127.97 2wht s TYR 177 Ca 0.04 -0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2wht s TYR 177 Cb -0.13 -1.96 0.08 0.00 -0.40 0.00 0.00 41.96 39.55 2wht s TYR 177 CO -0.11 -0.06 0.04 0.21 -1.57 0.00 0.00 175.55 174.07 2wht s LYS 178 N 0.40 0.86 0.50 -0.62 2.20 0.29 -1.65 119.74 121.72 2wht s LYS 178 Ca -0.04 -0.79 -0.21 0.00 -0.36 0.00 0.00 55.97 54.57 2wht s LYS 178 Cb -0.14 -2.16 -0.07 0.00 -1.51 0.00 0.00 37.83 33.95 2wht s LYS 178 CO 0.03 -0.77 1.13 0.00 -0.36 0.00 0.00 175.35 175.38 2wht s ALA 179 N 1.67 2.82 -2.08 3.13 0.00 -1.26 -0.87 121.76 125.17 2wht s ALA 179 Ca 0.02 0.84 0.23 0.00 0.00 0.00 0.00 51.96 53.06 2wht s ALA 179 Cb -0.17 -3.36 1.27 0.00 0.00 0.00 0.00 23.12 20.86 2wht s ALA 179 CO -0.14 -0.67 1.83 1.63 0.00 0.00 0.00 175.76 178.41 2wht n LYS 180 N -0.94 1.16 -3.71 0.00 5.02 -0.21 -4.79 118.16 114.69 2wht n LYS 180 Ca 0.10 -0.23 -0.12 0.00 -2.02 0.00 0.00 58.31 56.03 2wht n LYS 180 Cb 0.50 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 34.07 2wht n LYS 180 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wht s LYS 181 N -1.97 0.87 0.33 1.97 -2.85 -1.26 -5.02 119.74 111.80 2wht s LYS 181 Ca 0.35 -0.43 -0.29 0.00 -1.00 0.00 0.00 55.97 54.60 2wht s LYS 181 Cb 0.17 0.38 -0.12 0.00 -2.06 0.00 0.00 37.83 36.19 2wht s LYS 181 CO 0.27 -0.29 1.31 -2.30 0.10 0.00 0.00 175.35 174.44 2wht n PRO 182 N 0.53 2.12 -4.17 1.78 -0.02 -1.26 -4.96 135.00 129.02 2wht n PRO 182 Ca -0.19 0.75 -0.10 0.00 -2.02 0.00 0.00 63.50 61.94 2wht n PRO 182 Cb 0.60 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.64 2wht n PRO 182 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wht s VAL 183 N -0.92 0.20 0.00 -1.45 -7.23 -1.26 -5.02 120.40 104.72 2wht s VAL 183 Ca 0.57 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 2wht s VAL 183 Cb -0.58 -2.07 -0.07 0.00 0.56 0.00 0.00 36.38 34.21 2wht s VAL 183 CO 0.60 -0.45 1.81 -0.13 -0.31 0.00 0.00 175.10 176.61 2wht s ARG 184 N -4.03 4.16 0.14 4.82 0.52 -1.26 -4.96 118.95 118.35 2wht s ARG 184 Ca 0.25 2.41 -0.27 0.00 -0.52 0.00 0.00 55.73 57.60 2wht s ARG 184 Cb 0.07 -4.03 -0.07 0.00 0.52 0.00 0.00 34.95 31.44 2wht s ARG 184 CO 0.02 -0.89 0.84 -1.64 0.02 0.00 0.00 175.30 173.65 2wht s MET 185 N 4.09 4.63 0.80 3.54 -1.94 -1.26 -4.67 119.30 124.48 2wht s MET 185 Ca 0.81 1.25 -0.12 0.00 -1.71 0.00 0.00 55.69 55.92 2wht s MET 185 Cb -0.39 -3.31 0.07 0.00 2.01 0.00 0.00 34.83 33.22 2wht s MET 185 CO 0.36 0.43 1.16 -1.25 -0.01 0.00 0.00 175.02 175.70 2wht s PRO 186 N -0.70 2.08 0.00 2.03 0.04 -1.26 -4.79 135.00 132.41 2wht s PRO 186 Ca 0.39 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2wht s PRO 186 Cb -0.23 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2wht s PRO 186 CO 0.27 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 176.19 2wht n GLY 187 N -3.13 0.21 3.58 0.56 0.00 -1.26 -4.57 105.19 100.58 2wht n GLY 187 Ca 0.08 -1.86 -0.50 0.00 0.00 0.00 0.00 46.02 43.74 2wht n GLY 187 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wht n ARG 188 N -0.86 1.14 -3.84 1.61 0.63 -1.26 -4.70 116.66 109.37 2wht n ARG 188 Ca 0.00 0.41 -0.07 0.00 -0.92 0.00 0.00 57.85 57.27 2wht n ARG 188 Cb 0.00 -1.97 -0.02 0.00 0.45 0.00 0.00 32.46 30.93 2wht n ARG 188 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2wht s HIS 189 N 0.10 -0.15 0.08 -0.14 -3.43 -0.71 -4.20 115.29 106.85 2wht s HIS 189 Ca 0.78 -0.31 0.06 0.00 -0.80 0.00 0.00 55.06 54.80 2wht s HIS 189 Cb -0.90 0.71 -0.03 0.00 -1.43 0.00 0.00 32.58 30.93 2wht s HIS 189 CO 0.50 -1.21 -0.16 -1.21 -2.00 0.00 0.00 174.74 170.65 2wht s GLU 190 N -3.68 0.92 -0.20 -0.38 2.02 -0.28 -0.34 118.70 116.76 2wht s GLU 190 Ca 0.12 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 54.09 2wht s GLU 190 Cb -0.05 -1.00 0.03 0.00 0.10 0.00 0.00 34.13 33.20 2wht s GLU 190 CO 0.07 0.23 -0.16 0.42 0.02 0.00 0.00 175.26 175.83 2wht s ILE 191 N -1.28 1.99 0.03 -1.63 1.01 -0.16 -0.43 121.20 120.73 2wht s ILE 191 Ca 0.01 -1.08 -0.24 0.00 0.00 0.00 0.00 60.65 59.34 2wht s ILE 191 Cb -0.10 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 2wht s ILE 191 CO 0.03 0.36 0.75 -1.81 0.00 0.00 0.00 174.94 174.27 2wht s ASP 192 N 1.28 7.17 0.08 3.58 1.01 -0.43 -0.84 116.67 128.52 2wht s ASP 192 Ca 0.01 1.40 0.03 0.00 0.71 0.00 0.00 52.55 54.71 2wht s ASP 192 Cb -0.15 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2wht s ASP 192 CO -0.10 0.01 -0.09 -0.13 0.21 0.00 0.00 175.17 175.06 2wht s ARG 193 N -0.01 0.74 -0.03 8.23 0.52 0.93 -1.51 118.95 127.82 2wht s ARG 193 Ca 0.38 -1.02 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 2wht s ARG 193 Cb -0.20 -0.46 0.01 0.00 0.52 0.00 0.00 34.95 34.82 2wht s ARG 193 CO 0.22 0.07 -0.06 0.21 0.02 0.00 0.00 175.30 175.77 2wht s LYS 194 N -2.38 0.78 -0.07 3.54 2.20 -0.68 -1.63 119.74 121.49 2wht s LYS 194 Ca 0.00 -0.17 -0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2wht s LYS 194 Cb -0.05 -0.76 0.02 0.00 -1.51 0.00 0.00 37.83 35.53 2wht s LYS 194 CO -0.00 0.00 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.79 2wht s LEU 195 N 0.54 1.02 0.02 5.43 2.96 -1.26 -1.50 118.68 125.90 2wht s LEU 195 Ca -0.07 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 2wht s LEU 195 Cb -0.11 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 2wht s LEU 195 CO 0.00 -0.12 -0.14 -1.81 -1.32 0.00 0.00 176.35 172.97 2wht s ASP 196 N 1.48 1.64 -0.25 3.68 1.01 -0.55 -4.48 116.67 119.19 2wht s ASP 196 Ca -0.02 -0.39 -0.29 0.00 0.71 0.00 0.00 52.55 52.56 2wht s ASP 196 Cb -0.13 -0.13 0.01 0.00 1.01 0.00 0.00 42.92 43.68 2wht s ASP 196 CO -0.03 0.07 1.02 -0.69 0.21 0.00 0.00 175.17 175.75 2wht s VAL 197 N -0.69 4.67 -0.08 -1.27 1.01 -1.26 -1.06 120.40 121.72 2wht s VAL 197 Ca 0.03 1.93 0.22 0.00 0.00 0.00 0.00 61.98 64.16 2wht s VAL 197 Cb -0.07 -4.31 -0.27 0.00 0.00 0.00 0.00 36.38 31.73 2wht s VAL 197 CO 0.01 -0.22 0.56 0.35 0.00 0.00 0.00 175.10 175.80 2wht n THR 198 N 5.40 0.24 -3.57 3.92 -2.24 0.89 -4.97 114.28 113.95 2wht n THR 198 Ca 0.11 -0.54 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 2wht n THR 198 Cb 0.46 -0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 2wht n THR 198 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wht s SER 199 N -4.77 -0.58 0.02 3.42 0.15 -1.16 -4.98 113.70 105.80 2wht s SER 199 Ca -0.07 0.68 -0.27 0.00 0.70 0.00 0.00 55.95 56.99 2wht s SER 199 Cb 0.13 0.59 0.09 0.00 -1.71 0.00 0.00 66.02 65.11 2wht s SER 199 CO 0.88 -0.54 0.76 -1.38 1.20 0.00 0.00 173.24 174.16 2wht s HIS 200 N -1.05 -0.48 0.70 3.44 -3.43 -1.26 -0.42 115.29 112.78 2wht s HIS 200 Ca -0.10 0.50 -0.05 0.00 -0.80 0.00 0.00 55.06 54.60 2wht s HIS 200 Cb -0.01 0.51 0.15 0.00 -1.43 0.00 0.00 32.58 31.79 2wht s HIS 200 CO 0.08 -0.64 0.95 0.27 -2.00 0.00 0.00 174.74 173.40 2wht n ASN 201 N 0.07 0.77 -0.16 7.38 0.23 -0.59 -4.99 115.26 117.97 2wht n ASN 201 Ca -0.14 -1.77 -0.04 0.00 -0.53 0.00 0.00 54.58 52.10 2wht n ASN 201 Cb 0.61 -0.66 0.16 0.00 -2.08 0.00 0.00 39.78 37.81 2wht n ASN 201 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 2wht h ARG 202 N 0.00 0.90 -0.41 -3.83 2.43 -2.02 -2.74 114.38 108.72 2wht h ARG 202 Ca -0.31 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2wht h ARG 202 Cb 1.03 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2wht h ARG 202 CO 0.29 0.81 0.00 -0.40 -1.51 0.00 0.00 179.97 179.15 2wht n ASP 203 N -4.26 3.85 -3.62 -3.80 5.75 -1.26 -4.97 116.55 108.24 2wht n ASP 203 Ca 0.04 -2.51 -0.25 0.00 -0.01 0.00 0.00 54.79 52.06 2wht n ASP 203 Cb 0.23 -0.45 0.06 0.00 -1.03 0.00 0.00 41.12 39.93 2wht n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2wht n TYR 204 N 0.32 -2.67 0.83 2.11 4.02 -1.03 -4.41 117.16 116.33 2wht n TYR 204 Ca 0.19 0.94 0.11 0.00 -0.01 0.00 0.00 57.90 59.13 2wht n TYR 204 Cb 0.74 -4.73 -0.03 0.00 -0.02 0.00 0.00 39.34 35.31 2wht n TYR 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2wht n THR 205 N -4.89 0.03 -3.89 -0.72 -2.24 -1.26 -4.75 114.28 96.57 2wht n THR 205 Ca 0.01 -0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.42 2wht n THR 205 Cb 0.56 0.62 -0.17 0.00 -2.10 0.00 0.00 70.33 69.24 2wht n THR 205 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wht s SER 206 N -3.31 2.53 0.01 3.42 0.01 -1.26 -0.86 113.70 114.25 2wht s SER 206 Ca 0.06 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.84 2wht s SER 206 Cb 0.16 -0.86 -0.01 0.00 0.21 0.00 0.00 66.02 65.52 2wht s SER 206 CO 0.83 -0.16 -0.08 -0.69 0.41 0.00 0.00 173.24 173.55 2wht s VAL 207 N 1.68 0.61 -0.03 3.43 1.01 -0.71 -1.53 120.40 124.85 2wht s VAL 207 Ca 0.02 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.59 2wht s VAL 207 Cb -0.14 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 2wht s VAL 207 CO -0.08 0.06 -0.26 -1.61 0.00 0.00 0.00 175.10 173.21 2wht s GLU 208 N -0.48 2.27 0.08 2.72 2.02 0.44 0.02 118.70 125.78 2wht s GLU 208 Ca 0.01 -0.92 0.06 0.00 0.02 0.00 0.00 54.97 54.14 2wht s GLU 208 Cb -0.04 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 2wht s GLU 208 CO -0.00 0.49 -0.17 -0.65 0.02 0.00 0.00 175.26 174.95 2wht s GLN 209 N -0.45 0.97 0.12 1.61 -0.21 -0.69 -0.08 119.66 120.94 2wht s GLN 209 Ca 0.05 -1.03 0.09 0.00 0.02 0.00 0.00 55.36 54.49 2wht s GLN 209 Cb -0.11 -1.09 -0.04 0.00 1.00 0.00 0.00 33.01 32.77 2wht s GLN 209 CO 0.01 0.25 -0.23 0.00 -2.12 0.00 0.00 175.29 173.20 2wht s GLU 211 N -2.06 0.92 -0.05 0.00 2.12 -0.29 -1.49 118.70 117.86 2wht s GLU 211 Ca 0.10 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 54.92 2wht s GLU 211 Cb -0.10 -0.90 -0.02 0.00 0.26 0.00 0.00 34.13 33.38 2wht s GLU 211 CO 0.05 0.24 -0.22 0.42 -0.54 0.00 0.00 175.26 175.21 2wht s ILE 212 N -0.55 2.39 -0.06 -3.70 -1.09 -0.56 -1.91 121.20 115.72 2wht s ILE 212 Ca 0.03 -0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 57.46 2wht s ILE 212 Cb -0.06 -1.89 0.04 0.00 -1.58 0.00 0.00 42.46 38.97 2wht s ILE 212 CO 0.00 0.57 0.12 0.00 -1.23 0.00 0.00 174.94 174.41 2wht s ALA 213 N -0.38 -0.20 -0.04 9.38 0.00 -0.13 -1.69 121.76 128.70 2wht s ALA 213 Ca 0.03 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 2wht s ALA 213 Cb -0.12 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.63 2wht s ALA 213 CO 0.02 -0.14 0.04 0.42 0.00 0.00 0.00 175.76 176.10 2wht s ILE 214 N 1.10 -0.01 0.31 0.00 1.01 -0.57 -1.43 121.20 121.60 2wht s ILE 214 Ca -0.09 0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.74 2wht s ILE 214 Cb -0.11 -0.20 -0.09 0.00 0.01 0.00 0.00 42.46 42.07 2wht s ILE 214 CO -0.05 0.17 0.72 0.00 0.00 0.00 0.00 174.94 175.78 2wht s ALA 215 N 1.86 3.35 0.20 9.38 0.00 0.28 -1.31 121.76 135.52 2wht s ALA 215 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 2wht s ALA 215 Cb -0.12 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2wht s ALA 215 CO -0.03 0.35 0.42 -0.98 0.00 0.00 0.00 175.76 175.51 2wht s ARG 216 N -2.89 1.35 0.52 0.00 1.70 0.42 -4.49 118.95 115.56 2wht s ARG 216 Ca 0.53 -1.10 -0.22 0.00 -0.47 0.00 0.00 55.73 54.47 2wht s ARG 216 Cb -0.11 0.45 -0.05 0.00 -0.57 0.00 0.00 34.95 34.67 2wht s ARG 216 CO 0.18 -0.54 1.27 -1.01 -1.08 0.00 0.00 175.30 174.12 2wht s HIS 217 N -3.95 2.49 0.33 5.89 3.76 -1.26 -1.13 115.29 121.42 2wht s HIS 217 Ca 0.16 1.45 -0.29 0.00 -0.15 0.00 0.00 55.06 56.23 2wht s HIS 217 Cb 0.01 -3.61 -0.11 0.00 1.11 0.00 0.00 32.58 29.97 2wht s HIS 217 CO 0.02 -2.34 1.50 -1.12 -0.85 0.00 0.00 174.74 171.95 2wht s SER 218 N -1.18 6.43 0.00 1.40 0.01 -1.26 -4.69 113.70 114.40 2wht s SER 218 Ca 0.70 2.94 0.32 0.00 1.31 0.00 0.00 55.95 61.22 2wht s SER 218 Cb -0.35 -2.65 1.90 0.00 0.21 0.00 0.00 66.02 65.13 2wht s SER 218 CO 0.41 -0.84 2.22 0.18 0.41 0.00 0.00 173.24 175.63